D4T

2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE


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Chemical Component Summary

Name2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE
Identifiers[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
FormulaC10 H15 N2 O13 P3
Molecular Weight464.153
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
InChIInChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKeyODSQODTUNULBHF-JGVFFNPUSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count44
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02887 
NameStavudine triphosphate
Groups experimental
Synonyms
  • Stavudine triphosphate
  • 2',3'-Dideoxy-2',3'-dehydrothymidine 5'-triphosphate
  • D4TTP
Categories
  • Deoxyribonucleosides
  • Deoxyribonucleotides
  • Dideoxynucleosides
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
CAS number26194-89-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Nucleoside diphosphate kinase AMANCERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVGLKFMQASEDLLKE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 65355
ChEMBL CHEMBL485652